Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 5/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | CTSD | P07339 | 2/20 | 0.39 |
| ▸ | ITGAV | P06756 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5162805 | 0.78 | ITGB1 (0.51) | — | |
| Hydrochloric Acid SCHEMBL7527724 | 0.76 | LTA4H (0.41) | LTA4HKDM1AMAOASLC15A1ABCB1 | |
| Phenylalanine Methyl Ester SCHEMBL74888 | 0.71 | SLC7A5 (0.63) | LTA4HSLC15A1ALDH1A1 | |
| Phenylalanine Methyl Ester SCHEMBL27880854 | 0.71 | SLC7A5 (0.63) | LTA4HSLC15A1ALDH1A1 | |
| Phenylalanine Methyl Ester SCHEMBL74887 | 0.71 | SLC7A5 (0.63) | LTA4HSLC15A1ALDH1A1 | |
| Phenylalanine Methyl Ester SCHEMBL186022 | 0.71 | SLC7A5 (0.63) | LTA4HSLC15A1ALDH1A1 | |
| Phenylalanine Methyl Ester SCHEMBL136409 | 0.70 | SLC7A5 (0.61) | LTA4HSLC15A1ALDH1A1 | |
| Phenylalanine Methyl Ester SCHEMBL2237414 | 0.70 | SLC7A5 (0.61) | LTA4HSLC15A1ALDH1A1 | |
| Phenylalanine Methyl Ester SCHEMBL2728392 | 0.70 | SLC7A5 (0.61) | LTA4HSLC15A1ALDH1A1 | |
| Phenylalanine Methyl Ester SCHEMBL136408 | 0.70 | SLC7A5 (0.61) | LTA4HSLC15A1ALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1144435-A2 | PYROGLUTAMIC ACID DERIVATIVES AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000043413-A2 | PYROGLUTAMIC ACID DERIVATIVES AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2000-07-27 | — | — | WO | disclosed |